Vitas-M small molecule compound
(5alpha,8xi,9xi,14xi,17xi)-5,6-dichloro-16-methyl-20-oxopregnan-3-yl acetate
Catalog ID
STL524430
SMILES CC(=O)OC1CC[C@]2([C@@](C1)(Cl)C(Cl)CC1C2CC[C@]2(C1CC(C2C(=O)C)C)C)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C24H36Cl2O3 MW 443.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H36Cl2O3/c1-13-10-19-17-11-20(25)24(26)12-16(29-15(3)28)6-9-23(24,5)18(17)7-8-22(19,4)21(13)14(2)27/h13,16-21H,6-12H2,1-5H3/t13?,16?,17?,18?,19?,20?,21?,22-,23+,24-/m0/s1InChIKey
PYBGGSNABBXWHO-FBYJTJOXSA-NSynonyms
((5~(R)10~(R)13~(S))17acetyl56dichloro101316trimethyl12346789111214151617tetradecahydrocyclopenta(a)phenanthren3yl)acetate
(5alpha8xi9xi14xi17xi)56dichloro16methyl20oxopregnan3ylacetate
(5R10R13S)17acetyl56dichloro101316trimethylhexadecahydro1Hcyclopenta(a)phenanthren3ylacetate
16396563
CC(=O)OC1CC(C@)2((C@@)(C1)(Cl)C(Cl)CC1C2CC(C@)2(C1CC(C2C(=O)C)C)C)C
InChI=1SC24H36Cl2O3c1131019171120(25)24(26)1216(2915(3)28)6923(245)18(17)7822(194)21(13)14(2)27h131621H612H215H3t13?16?17?18?19?20?21?2223+24m0s1
MFCD01881737
ZINC000252694781
ZINC000253499864
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